Bicarbonate Ion → 2-Chloro-4-(3-chloro-4-fluoro-phenyl)-6-[4-(3-trifluoromethylpyridin-2-yl)-piperazin-1-yl]-pyrimidine

HRID 206549Notes

Reaction equation

HRID 206549 reaction equation
[C:17](=[O:18])([OH:19])[O-:20].[CH3:38][OH:39].[Cl:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][c:11]([Cl:16])[c:12]([F:15])[cH:13][cH:14]2)[cH:5][c:6]([Cl:8])[n:7]1.[F:22][C:23]([c:24]1[c:25]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[n:26][cH:27][cH:28][cH:29]1)([F:36])[F:37].[Na+:21]>>[Cl:1][c:2]1[n:3][c:4](-[c:9]2[cH:10][c:11]([Cl:16])[c:12]([F:15])[cH:13][cH:14]2)[cH:5][c:6]([N:33]2[CH2:32][CH2:31][N:30]([c:25]3[c:24]([C:23]([F:22])([F:36])[F:37])[cH:29][cH:28][cH:27][n:26]3)[CH2:35][CH2:34]2)[n:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 27777861-[3-(Trifluoromethyl)pyridin-2-yl]piperazineHCID 577610582,4-Dichloro-6-(3-chloro-4-fluoro-phenyl)-pyrimidine

Product 1

HCID 577614902-Chloro-4-(3-chloro-4-fluoro-phenyl)-6-[4-(3-trifluoromethylpyridin-2-yl)-piperazin-1-yl]-pyrimidine

Sources & evidence

ORD record
ord-13467f879625471ca414ea6e4a7459e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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